Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | t116 | |
|---|---|---|
| Name: | 2,3,6-trichlorobenzoic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 50-31-7 | |
| InChi Code: | InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.54 |
experimental value |
| 1.5556 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.5556 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6040296 | US EPA CompTox Dashboard |